4-ethyl-5-methyl-2-[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 4-ethyl-5-methyl-2-[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 4-ethyl-5-methyl-2-[[2-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 4-ethyl-5-methyl-2-[[2-[(3S)-3-methyl-4-(3-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 4-ethyl-5-methyl-2-[[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 4-ethyl-5-methyl-2-[[2-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)N)NC(=O)C[NH+]2CCN(C(C2)C)C3=CC=CC(=C3)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)N)NC(=O)C[NH+]2CCN([C@H](C2)C)C3=CC=CC(=C3)C)C

InChI

InChI=1S/C22H30N4O2S/c1-5-18-16(4)29-22(20(18)21(23)28)24-19(27)13-25-9-10-26(15(3)12-25)17-8-6-7-14(2)11-17/h6-8,11,15H,5,9-10,12-13H2,1-4H3,(H2,23,28)(H,24,27)/p+1/t15-/m0/s1